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Problems in the Derivation of d-Values from Experimental Digital XRD Patterns

Published online by Cambridge University Press:  06 March 2019

Ron Jenkins  and
Monte Nichols
Ron Jenkins
Affiliation:
JCPDS-ICDD Swarthmore, PA
Monte Nichols
Affiliation:
Sandia National Laboratories Livermore, CA
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Abstract

Most commercially available, automated powder diffractometers include software packages for the determination of d-values from experimentally recorded digitized patterns. While many of these patterns offer great flexibility to the user, indications from a recent Round-Robin Study [1] are that many users are confused as to the correct use of such parameters as choice of step size and counting time, the degree of data smoothing, peak-hunting parameters, setting of background level, and the consequences of background subtraction and α2 stripping. This paper will reviews these various factors and give some guidelines as to the establishment of optimum conditions.

Type
Research Article
Information
Advances in X-Ray Analysis , Volume 33: Thirty-Eighth Annual Conference on Applications of X-ray Analysis, July 31 - August 4, 1989 , 1989 , pp. 285 - 293
Copyright
Copyright © International Centre for Diffraction Data 1989

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References

1 Jenkins, R. and Schreiner, W.N., Intensity round-robin report, Powder Diffraction, 4, (1989) 74-100Google Scholar
2 Smith, D.K., Johnson, G.G.Jr. and Wims, A., Use of full diffraction spectra, both experimental and calculated, in quantitative powder diffraction analysis, Austr. J.Phys., 41, (1988) 311-321Google Scholar
3 Taylor, J.C. and Pecover, S.R., Quantitative analysis of phases in zeolite bearing rocks from full X-ray diffraction patterns, Austr. J.Phys., 41, (1988) 323-335Google Scholar
4 Jenkins, R. and Holomany, M., PC'PDF - A search/display system utilizing the CD-ROM and the complete Powder Diffraction File, Powder Diffraction. 2, (1987) 215-219Google Scholar
5 Jenkins, R., On the selection of the experimental wavelength in powder diffraction measurements, Adv. X-ray Anal., 32, (1989) 551-556Google Scholar
6 Huang, T.C., Precision peak determination in X-ray powder diffraction, Austr.Phys., 41, (1988) 201-212Google Scholar
7 Savitsky, A. amd Golay, M.J.E., Smoothing and differentiation of data by simplified least squares procedures, Anal. Chem., 36, (1964) 1627 Google Scholar
8 Mallory, C.L. and Snyder, R.L., The control arm processing of data from an automated powder diffractometer, Adv. X-ray Anal., 22, (1978) 121-131Google Scholar
9 Schreiner, W.N. and Jenkins, R., A second derivative algorithm for identification of peaks in powder diffraction patterns, Adv. X-ray Anal., 23, (1980) 287-293Google Scholar
10 Jenkins, R., Profile data aquisition fo r the JCPDS-ICDD database, Austr.J.Phys. 41, (1988) 145-153Google Scholar
11 Rachinger, W.A., A correction for the α1/α2 doublet in the measurement of widths of X-ray diffraction lines, J.Sci.Instrum., 25, (1948) 254-259Google Scholar
12 Huang, T.C., et al., Derivation of devalues from digitized X-ray and synchrotron diffraction data? Adv. X-ray Anal., 22 (1989) in pressGoogle Scholar
13 Parrish, W., Huang, T.C. and Ayers, G.L., Profile Fitting: A powerful method of computer X-ray instrumentation and analysis, Am. Cryst, Assoc. Monograph, 12, (1976) 55-73Google Scholar
14 Snyder, R.L. and Howard, S.A., An evaluation of some profile models and the optimization procedures used in profile fitting, Adv. X-ray Anal., 26, (1982) 73-80Google Scholar
15 “MICRO-SHADOW” A system fo r X-ray powder diffraction analysis, by Scott A. Howard, (1988). Available from Materials Data Inc., P.O.Box 791, Livermore, CA 94550Google Scholar
16 Jenkins, R. and de Vries, J.L., An Introduction to X-ray Spectrometry, 2nd. Ed., Springer-Verlag:New York, (1977) Sections 5.8 and 5.9Google Scholar